Python pointの例

コード例 #1

ファイル: makeTestCase.py プロジェクト: Seanny123/POVME

import POVME.packages.binana.peel as peel
import numpy as np
import pylab
import sys
import random

randomFactor = 0.001
plot = False
createPdbs = True
createNpys = True
mainPocket = [peel.point([0, 0, 0]), 7]
sidePocket1 = [peel.point([0, 0, 6]), 4]
sidePocket2 = [peel.point([0, 6, 0]), 4]
sidePocket3 = [peel.point([6, 0, 0]), 4]
sidePocket4 = [peel.point([0, 4, 4]), 4]

families = {}
# families[1] = [21,mainPocket,sidePocket1]
# families[2] = [21,mainPocket,sidePocket2]
# families[3] = [21,mainPocket,sidePocket3]
# families[4] = [20,mainPocket,sidePocket4]
# families[5] = [20,mainPocket]
# families[6] = [20,mainPocket,sidePocket1,sidePocket2]
# families[7] = [20,mainPocket,sidePocket1,sidePocket4]
# families[8] = [20,mainPocket,sidePocket1,sidePocket2,sidePocket4]
# families[9] = [20,mainPocket,sidePocket1,sidePocket2,sidePocket3,sidePocket4]
families[1] = [10, mainPocket, sidePocket1]
families[2] = [31, mainPocket, sidePocket2]
#families[3] = [7,mainPocket,sidePocket3]
#families[4] = [46,mainPocket,sidePocket4]
#families[5] = [17,mainPocket]

コード例 #2

ファイル: makeTestCase.py プロジェクト: POVME/POVME

import POVME.packages.binana.peel as peel
import numpy as np
import pylab
import sys
import random

randomFactor = 0.5
plot = False
createPdbs = True
createNpys = True

mainPocket = [peel.point([0,0,0]),7]
sidePocket1 = [peel.point([0,0,6]),4]
sidePocket2 = [peel.point([0,6,0]),4]
sidePocket3 = [peel.point([6,0,0]),4]
sidePocket4 = [peel.point([0,4,4]),4]

families = {}
# families[1] = [21,mainPocket,sidePocket1]
# families[2] = [21,mainPocket,sidePocket2]
# families[3] = [21,mainPocket,sidePocket3]
# families[4] = [20,mainPocket,sidePocket4]
# families[5] = [20,mainPocket]
# families[6] = [20,mainPocket,sidePocket1,sidePocket2]
# families[7] = [20,mainPocket,sidePocket1,sidePocket4]
# families[8] = [20,mainPocket,sidePocket1,sidePocket2,sidePocket4]
# families[9] = [20,mainPocket,sidePocket1,sidePocket2,sidePocket3,sidePocket4]
families[1] = [10,mainPocket,sidePocket1]
families[2] = [31,mainPocket,sidePocket2]
families[3] = [7,mainPocket,sidePocket3]
families[4] = [46,mainPocket,sidePocket4]